2898-08-0 | 1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one

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Description

• Catalog Number: AB33397
• Chemical Name: 1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one
• CAS Number: 2898-08-0
• Molecular Formula: C15H12N2O
• Molecular Weight: 236.2686
• MDL Number: MFCD00277779
• SMILES: O=C1CN=C(c2c(N1)cccc2)c1ccccc1
• NSC Number: 656624

Computed Properties

• Complexity: 344
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.2

Literature

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

• Pharmacophore/receptor models for GABA(A)/BzR subtypes (alpha1beta3gamma2, alpha5beta3gamma2, and alpha6beta3gamma2) via a comprehensive ligand-mapping approach.

  Journal of medicinal chemistry 20000113